BDBM50360480 CHEMBL1934756

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)NCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ALRUTAUHTLHPBD-WVSUBDOOSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360480   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50360480 (CHEMBL1934756) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)NCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H23N7O5/c22-18-15-19(26-9-25-18)28(10-27-15)20-17(30)16(29)14(33-20)8-32-21(31)23-6-5-11-7-24-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,24,29-30H,5-6,8H2,(H,23,31)(H2,22,25,26)/t14-,16-,17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...				Bioorg Med Chem Lett 22: 558-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.082 BindingDB Entry DOI: 10.7270/Q2DF6RP5
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